CID 6889301

585552-23-4

Structural Information

Molecular Formula
C15H9Cl2FN4S
SMILES
C1=CC(=CC=C1C2=NNC(=S)N2/N=C/C3=C(C=C(C=C3)Cl)Cl)F
InChI
InChI=1S/C15H9Cl2FN4S/c16-11-4-1-10(13(17)7-11)8-19-22-14(20-21-15(22)23)9-2-5-12(18)6-3-9/h1-8H,(H,21,23)/b19-8+
InChIKey
HICPKKAECHHRNP-UFWORHAWSA-N
Compound name
4-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.9909 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.99818 178.6
[M+Na]+ 388.98012 191.8
[M-H]- 364.98362 183.8
[M+NH4]+ 384.02472 191.1
[M+K]+ 404.95406 181.8
[M+H-H2O]+ 348.98816 169.2
[M+HCOO]- 410.98910 186.2
[M+CH3COO]- 425.00475 189.2
[M+Na-2H]- 386.96557 177.6
[M]+ 365.99035 182.0
[M]- 365.99145 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.